MolNFT v1 · #116896 · protein
Crystal structure of the BCR Fab fragment from subset #4 case CLL183
5DRW · CLL183 BCR antibody heavy chain: “Crystal structure of the BCR Fab fragment from subset #4 case CLL183”. X-ray diffraction, 4 pockets (best druggability 0.47). MolNFT v1 #116896 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5DRW
- Type
- protein
- Length
- 436 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CLL183 BCR antibody heavy chain; CLL183 BCR antibody light chain
- Pockets
- 4 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CLL183 BCR antibody heavy chain | protein | 218 | 8% helix, 52% strand | — |
| B | CLL183 BCR antibody light chain | protein | 218 | 5% helix, 50% strand | — |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.47 | 0.74 | 37 | empty |
| 2 | 85 | 0.31 | 0.73 | 17 | empty |
| 3 | 50 | 0.26 | 0.74 | 13 | empty |
| 4 | 52 | 0.26 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1919 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 5DRW · Crystal structure of the BCR Fab fragment from subset #4 case CLL183 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 5DRW · PDBe 5DRW
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